N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine

C9H20N2 — CID 7141622

IUPACN-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine
SMILESCCN(CC)C[C@@H]1CCCN1
InChIInChI=1S/C9H20N2/c1-3-11(4-2)8-9-6-5-7-10-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySWMHMAUXZINLIQ-VIFPVBQESA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds4

About N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine

N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 7141622) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine
PubChem CID7141622
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine
SMILESCCN(CC)C[C@@H]1CCCN1
InChIInChI=1S/C9H20N2/c1-3-11(4-2)8-9-6-5-7-10-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeySWMHMAUXZINLIQ-VIFPVBQESA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine (CID 7141622) is N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine is CCN(CC)C[C@@H]1CCCN1.
What is the InChIKey of N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is SWMHMAUXZINLIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2/c1-3-11(4-2)8-9-6-5-7-10-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine?
N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 7141622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).